3-[2,2-bis(oxidanyl)ethoxycarbonyl]-5-sulfo-benzoate

Systemtic Name: 3-[2,2-bis(oxidanyl)ethoxycarbonyl]-5-sulfo-benzoate Openeye Name: 3-(2,2-dihydroxyethoxycarbonyl)-5-sulfo-benzoate CAS Name: 3-[2,2-dihydroxyethoxy(oxo)methyl]-5-sulfobenzoate IUPAC Name: 3-(2,2-dihydroxyethoxycarbonyl)-5-sulfobenzoate Traditional Name: 3-(2,2-dihydroxyethoxycarbonyl)-5-sulfo-benzoate Formula: C10H9O9S- MolecularWeight: 305.23806

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)OCC(O)O)S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)OCC(O)O)S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C10H10O9S/c11-8(12)4-19-10(15)6-1-5(9(13)14)2-7(3-6)20(16,17)18/h1-3,8,11-12H,4H2,(H,13,14)(H,16,17,18)/p-1